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Home > Nitro Compounds > 19279-27-7
19279-27-7 | 1,3,2,4-Dioxathiazole, 5-(4-nitrophenyl)-, 2-oxide
CAS No: 19279-27-7 Catalog No: AG002GB4 MDL No:
Product Description
Catalog Number:
AG002GB4
Chemical Name:
1,3,2,4-Dioxathiazole, 5-(4-nitrophenyl)-, 2-oxide
CAS Number:
19279-27-7
Molecular Formula:
C7H4N2O5S
Molecular Weight:
228.1821
IUPAC Name:
5-(4-nitrophenyl)-1,3,2,4-dioxathiazole 2-oxide
InChI:
InChI=1S/C7H4N2O5S/c10-9(11)6-3-1-5(2-4-6)7-8-14-15(12)13-7/h1-4H
InChI Key:
XXAIOELNMLHDQI-UHFFFAOYSA-N
SMILES:
O=S1ON=C(O1)c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
273
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.984g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
228.178g/mol
Monoisotopic Mass:
227.984g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
130A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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